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9fc021d8db
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Merge pull request #1638 from ellio167/kim-api-2.1.3
bump kim-api to 2.1.3
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2019-08-20 19:34:44 -04:00 |
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91a80c3c21
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Silence another compiler warning
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2019-08-20 19:28:03 -04:00 |
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fffe2eb958
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Silence compiler warning
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2019-08-20 19:26:26 -04:00 |
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14b93f91e2
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Compute HMA style name should be lowercase (and match the docs)
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2019-08-20 19:25:19 -04:00 |
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6b1df07298
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compute HMA style name should be lowercase
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2019-08-20 19:24:22 -04:00 |
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b79e5401d4
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Increase string buffer size to 128
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2019-08-20 16:55:36 -06:00 |
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9b703c6675
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Fix file name
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2019-08-20 16:54:37 -06:00 |
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f4254cba09
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Use snprintf instead of sprintf
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2019-08-20 16:47:43 -06:00 |
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b5a79f9616
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update fix wall/region docs as requested by @sjplimp (i hope)
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2019-08-20 16:50:49 -04:00 |
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7beb2a53f2
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Add missing comment
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2019-08-20 14:12:14 -06:00 |
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2b42428d28
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Extend lib interface to set fix external callback
This allows creating a callback in Python and attaching it to
a fix external instance.
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2019-08-20 14:04:49 -06:00 |
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88ff8ce2d7
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fix spelling issues in docs
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2019-08-20 12:05:14 -04:00 |
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6d5089e078
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Merge branch 'master' into collected-small-fixes
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2019-08-20 12:01:52 -04:00 |
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3d9e737a19
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change order of morse style wall potential parameters to be consistent with pair morse and bond morse
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2019-08-20 11:27:29 -04:00 |
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a0f49f27d9
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Final tweaks to HMA documentation
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2019-08-19 18:15:19 -04:00 |
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9a849a4d4f
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Merge branch 'master' into master
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2019-08-19 15:55:39 -06:00 |
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5cee51204c
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Adjust warnings for default kim download behavior settings
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2019-08-17 12:04:00 -05:00 |
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3a4e6c0dfd
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Revert "Update FindKIM-API.cmake"
This reverts commit 2f531d0dab.
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2019-08-17 11:40:13 -05:00 |
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2f531d0dab
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Update FindKIM-API.cmake
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2019-08-16 12:05:20 -06:00 |
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b72215fe02
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add support for automated checksumming of downloaded sources to kim api conventional build
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2019-08-16 12:43:37 -04:00 |
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379fa22147
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FindKIM-API.cmake: address Ryan's comments
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2019-08-16 10:30:09 -06:00 |
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42711245a2
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bump kim-api to 2.1.3
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2019-08-16 10:08:23 -06:00 |
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8cfdf4fad5
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Merge pull request #1632 from ellio167/kim-query-user-agent
Add user-agent setting to kim_query curl command
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2019-08-16 12:05:55 -04:00 |
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72c5808cfe
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Merge pull request #1633 from junghans/chain.x_install
cmake: install chain.x as well
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2019-08-16 12:05:33 -04:00 |
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578bcf0fb0
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Fixes normal force calculation bug in fix wall granular, allows twisting to be used without rolling in fix/wall/gran
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2019-08-16 01:19:08 -06:00 |
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cd77f71e99
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cmake: add version check for kim-api
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2019-08-15 12:56:15 -06:00 |
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edbd525bcb
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cmake: install chain.x as well
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2019-08-14 17:16:43 -06:00 |
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259176c590
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Add user-agent setting to kim_query curl command
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2019-08-14 17:16:10 -06:00 |
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e4e2342641
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no need to include mpi.h in headers that include pointers.h (directly or indirectly)
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2019-08-13 11:04:13 -04:00 |
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47533bc526
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Update fix_wall_region.txt
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2019-08-13 00:31:03 +02:00 |
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ff09c19149
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documentation for fix_wall_region morse
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2019-08-13 00:10:50 +02:00 |
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915e0b30cf
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Merge branch 'master' into feature-wall-region-morse
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2019-08-12 23:01:01 +02:00 |
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fa6cf0fa8f
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reduce compiler warnings
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2019-08-09 16:00:02 -04:00 |
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42239bf480
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update USER-MISC README
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2019-08-09 15:51:49 -04:00 |
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18725ce060
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reformat documentation to match typical LAMMPS conventions, change links
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2019-08-09 15:42:32 -04:00 |
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5f442d7b64
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add a couple of false positives
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2019-08-09 15:31:22 -04:00 |
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11f1ba220b
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fix typo
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2019-08-09 15:30:55 -04:00 |
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a12b959f39
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Merge pull request #1625 from ellio167/kim-logs
Added logs for examples/kim
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2019-08-09 13:47:41 -04:00 |
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d90d2316d1
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small tweak on include file list
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2019-08-09 11:11:48 -04:00 |
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838238b1ca
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documentation
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2019-08-08 00:38:41 +02:00 |
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8619462b3b
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Added logs for examples/kim
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2019-08-07 16:14:22 -05:00 |
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b084ad519d
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Merge branch 'master' into feature-pair-cossq
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2019-08-07 19:19:16 +02:00 |
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131c5aadd2
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Error/warning tweaks
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2019-08-07 19:16:54 +02:00 |
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d08d6b5fb0
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Merge pull request #1623 from akohlmey/next-version
Step version string for stable release
patch_7Aug2019
stable_7Aug2019
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2019-08-06 11:17:40 -04:00 |
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db621fc897
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Merge pull request #1622 from akohlmey/fix-ave-histo-bugfix
fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
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2019-08-06 10:54:49 -04:00 |
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c820c92225
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Merge pull request #1620 from lammps/replicate
fix formatting and augment explanation for bbox option
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2019-08-06 10:12:19 -04:00 |
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59046e7444
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step version number for stable release
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2019-08-06 08:52:54 -04:00 |
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4a55e9dd0c
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fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
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2019-08-06 07:28:00 -04:00 |
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71ce1c2027
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use cube() and square() from math_special.h instead of pow(x,3.0) and pow(x,2.0)
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2019-08-05 23:25:06 -04:00 |
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21f3f51ea2
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better error messages on accessing invalid IDs in variable expressions
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2019-08-05 23:17:38 -04:00 |
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